CID 1077488

1-ethyl-2-imino-10-methyl-5-oxo-n-(2-phenylethyl)-1,5-dihydro-2h-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide

Structural Information

Molecular Formula
C23H23N5O2
SMILES
CCN1C2=C(C=C(C1=N)C(=O)NCCC3=CC=CC=C3)C(=O)N4C=CC=C(C4=N2)C
InChI
InChI=1S/C23H23N5O2/c1-3-27-19(24)17(22(29)25-12-11-16-9-5-4-6-10-16)14-18-21(27)26-20-15(2)8-7-13-28(20)23(18)30/h4-10,13-14,24H,3,11-12H2,1-2H3,(H,25,29)
InChIKey
GUPVSGWVLKRRLX-UHFFFAOYSA-N
Compound name
7-ethyl-6-imino-11-methyl-2-oxo-N-(2-phenylethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

401.18518 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.19246 198.0
[M+Na]+ 424.17440 214.6
[M+NH4]+ 419.21900 203.9
[M+K]+ 440.14834 205.6
[M-H]- 400.17790 202.8
[M+Na-2H]- 422.15985 205.7
[M]+ 401.18463 201.7
[M]- 401.18573 201.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.